5-ethyl-3-methyl-1,2-dihydroazulene

C13H16 — CID 162845316

IUPAC5-ethyl-3-methyl-1,2-dihydroazulene
SMILESCCC1=CC2=C(C)CCC2=CC=C1
InChIInChI=1S/C13H16/c1-3-11-5-4-6-12-8-7-10(2)13(12)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyPMRJYBALQVLLSJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.93
Rot. Bonds1

About 5-ethyl-3-methyl-1,2-dihydroazulene

5-ethyl-3-methyl-1,2-dihydroazulene (PubChem CID 162845316) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1,2-dihydroazulene.

Molecular Properties

Compound Name5-ethyl-3-methyl-1,2-dihydroazulene
PubChem CID162845316
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name5-ethyl-3-methyl-1,2-dihydroazulene
SMILESCCC1=CC2=C(C)CCC2=CC=C1
InChIInChI=1S/C13H16/c1-3-11-5-4-6-12-8-7-10(2)13(12)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyPMRJYBALQVLLSJ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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CID 71349359
5-Ethyl-3,8-dimethyl-1,7-dihydroazulene
CID 131751995
2-Butyl-1,3-cyclohexadiene
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1,2-dihydroazulene?
The IUPAC name of 5-ethyl-3-methyl-1,2-dihydroazulene (CID 162845316) is 5-ethyl-3-methyl-1,2-dihydroazulene.
What is the SMILES notation for 5-ethyl-3-methyl-1,2-dihydroazulene?
The canonical SMILES for 5-ethyl-3-methyl-1,2-dihydroazulene is CCC1=CC2=C(C)CCC2=CC=C1.
What is the InChIKey of 5-ethyl-3-methyl-1,2-dihydroazulene?
The InChIKey is PMRJYBALQVLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-11-5-4-6-12-8-7-10(2)13(12)9-11/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1,2-dihydroazulene?
5-ethyl-3-methyl-1,2-dihydroazulene has a molecular weight of 172.27 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1,2-dihydroazulene is sourced from PubChem (CID 162845316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).